2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

C14H24N2O6 — CID 20643827

IUPAC2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(=O)OC(C)(C)COC
InChIInChI=1S/C14H24N2O6/c1-10(2)12(18)21-7-6-15-13(19)16-8-11(17)22-14(3,4)9-20-5/h1,6-9H2,2-5H3,(H2,15,16,19)
InChIKeyGYKSPGFNMMALEQ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.37
Rot. Bonds9

About 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate

2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 20643827) has the molecular formula C14H24N2O6 and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID20643827
Molecular FormulaC14H24N2O6
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCC(=O)OC(C)(C)COC
InChIInChI=1S/C14H24N2O6/c1-10(2)12(18)21-7-6-15-13(19)16-8-11(17)22-14(3,4)9-20-5/h1,6-9H2,2-5H3,(H2,15,16,19)
InChIKeyGYKSPGFNMMALEQ-UHFFFAOYSA-N
XLogP0.37
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate (CID 20643827) is 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCC(=O)OC(C)(C)COC.
What is the InChIKey of 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is GYKSPGFNMMALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O6/c1-10(2)12(18)21-7-6-15-13(19)16-8-11(17)22-14(3,4)9-20-5/h1,6-9H2,2-5H3,(H2,15,16,19).
What are the key properties of 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 316.35 g/mol, XLogP of 0.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxy-2-methylpropan-2-yl)oxy-2-oxoethyl]carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20643827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).